N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C19H22N2O4S — CID 55429298

IUPACN-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3CCCN3S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-5-9-16(10-6-14)25-17-11-7-15(8-12-17)20-19(22)18-4-3-13-21(18)26(2,23)24/h5-12,18H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyFKRYKEWGPAHOFD-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.15
Rot. Bonds5

About N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 55429298) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID55429298
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3CCCN3S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-5-9-16(10-6-14)25-17-11-7-15(8-12-17)20-19(22)18-4-3-13-21(18)26(2,23)24/h5-12,18H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyFKRYKEWGPAHOFD-UHFFFAOYSA-N
XLogP3.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 17412915
(2R)-N-(4-acetylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27444312
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2S)-N-(3,5-dimethylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 40853891
N-[4-(4-methylphenoxy)phenyl]-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 42908475
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16827882
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 55564355
N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093594
N-[4-(diethylamino)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51240484
N-[4-(2-hydroxyethyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 61221418
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(4-acetamidophenyl) (2R)-1-methylsulfonylpyrrolidine-2-carboxylate
CID 39994808

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 55429298) is N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide is Cc1ccc(Oc2ccc(NC(=O)C3CCCN3S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is FKRYKEWGPAHOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-5-9-16(10-6-14)25-17-11-7-15(8-12-17)20-19(22)18-4-3-13-21(18)26(2,23)24/h5-12,18H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55429298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).